Reduced Order modeling for Non-Equilibrium Kinetics

RONEK is a Python library designed to perform model reduction for non-equilibrium kinetics, based on balanced truncation techniques. It currently supports mixtures consisting of two species: one atom and one molecule, with a single chemical component. For instance, it can manage mixtures like $\mathcal{S}=\left[\text{N},\text{N}_2\right]$ or $\mathcal{S}=\left[\text{O},\text{O}_2\right]$.

It leverages PyTorch for GPU acceleration. This implementation excels in performance, making it well-suited for high-dimensional problems.

To install RONEK, follow these steps:

1. Clone the repository:

git clone https://github.com/ivanZanardi/ronek.git
cd ronek

2. Create a Conda environment:

conda env create -f conda/env.yml
conda activate ronek

3. Install the package:

pip install .

Activate the Conda environment whenever using RONEK:

conda activate ronek

If you use this code or find this work useful in your research, please cite us:

@article{Zanardi_2025_RONEK,
  title={Petrov-Galerkin model reduction for thermochemical nonequilibrium gas mixtures},
  journal={Journal of Computational Physics},
  volume={533},
  pages={113999},
  month={4},
  year={2025},
  issn={0021-9991},
  doi={https://doi.org/10.1016/j.jcp.2025.113999},
  url={https://www.sciencedirect.com/science/article/pii/S0021999125002827},
  author={Ivan Zanardi and Alberto Padovan and Daniel J. Bodony and Marco Panesi},
  keywords={Reduced-order modeling, Thermochemistry, Nonequilibrium, Hypersonics}
}
@inbook{Zanardi_2025_RONEK_N3,
  title={Petrov-Galerkin Model Reduction for Thermochemical Nonequilibrium Gas Mixtures: Application to the N$_2$+N System},
  author={Ivan Zanardi and Alberto Padovan and Daniel J. Bodony and Marco Panesi},
  booktitle={AIAA SCITECH 2025 Forum},
  chapter={},
  pages={},
  doi={10.2514/6.2025-2524},
  url={https://arc.aiaa.org/doi/abs/10.2514/6.2025-2524}
}

Check out the examples provided in the repository to see RONEK in action.

RONEK is distributed under the MIT License. You are welcome to utilize, modify, and contribute to this project in accordance with the terms outlined in the license.